SCHEMBL12412835

SCHEMBL12412835

CCC(=O)OC(CC)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
HIF1A Q16665 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
NAAA Q02083 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15438050 0.86 MGAM (0.39) LMNAMMP1MMP2MMP3MMP9
SCHEMBL9731158 0.84 MEN1 (0.35) MEN1CYP2C19RECQLKMT2AALOX15
SCHEMBL6725545 0.83 TSHR (0.31) LMNAMMP1MMP2MMP3MMP9
SCHEMBL23814197 0.82 MMP1 (0.35) MEN1CYP2C19RECQLKMT2AALOX15
SCHEMBL12863876 0.82 ALDH1A1 (0.46) ALOX15LMNAALDH1A1MMP1MMP2
SCHEMBL21164565 0.82 FAAH (0.35) LMNAMMP1MMP2MMP3MMP9
SCHEMBL26419539 0.81 LMNA (0.36) MEN1KMT2ALMNA
SCHEMBL15438051 0.80 MMP1 (0.34) LMNAMMP1MMP2MMP3MMP9
SCHEMBL14693780 0.80 ALDH1A1 (0.33) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL17860691 0.79 LMNA (0.37) LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234470-A Perfuming complex of natural origin, perfuming composition and aqueous fragrance composition 伊碧申香料有限公司 2024-06-21 CN disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B MEN1 2381/4885CYP2C19 353/4885RECQL 664/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB MEN1 2672/4885CYP2C19 154/4885RECQL 3035/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 MEN1 3633/4885CYP2C19 291/4885RECQL 4123/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 MEN1 3633/4885CYP2C19 291/4885RECQL 4123/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.